2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethyl-azanium iodide

Systemtic Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethyl-azanium iodide Openeye Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethyl-ammonium iodide CAS Name: 2-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]heptyl-trimethylammonium iodide IUPAC Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]heptyl-trimethylazanium iodide Traditional Name: [(E)-2-amyl-5-(4-chlorophenyl)-3-keto-pent-4-enyl]-trimethyl-ammonium iodide Formula: C19H29ClINO MolecularWeight: 449.79713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[N+](C)(C)C)C(=O)C=CC1=CC=C(C=C1)Cl.[I-]

Isomeric SMILES

CCCCCC(C[N+](C)(C)C)C(=O)/C=C/C1=CC=C(C=C1)Cl.[I-]

InChI

InChI=1S/C19H29ClNO.HI/c1-5-6-7-8-17(15-21(2,3)4)19(22)14-11-16-9-12-18(20)13-10-16;/h9-14,17H,5-8,15H2,1-4H3;1H/q+1;/p-1/b14-11+;